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1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl decyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl decyl ester
SpectraBase Compound ID GhEfopvNVmh
InChI InChI=1S/C24H35BrO4/c1-2-3-4-5-6-7-8-11-18-28-23(26)21-12-9-10-13-22(21)24(27)29-20-16-14-19(25)15-17-20/h14-17,21-22H,2-13,18H2,1H3
InChIKey QQTZLRDAGYQWRA-UHFFFAOYSA-N
Mol Weight 467.4 g/mol
Molecular Formula C24H35BrO4
Exact Mass 466.171873 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5ZRlHGqqoK
Name 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.171872603 u
Formula C24H35BrO4
InChI InChI=1S/C24H35BrO4/c1-2-3-4-5-6-7-8-11-18-28-23(26)21-12-9-10-13-22(21)24(27)29-20-16-14-19(25)15-17-20/h14-17,21-22H,2-13,18H2,1H3
InChIKey QQTZLRDAGYQWRA-UHFFFAOYSA-N
Molecular Weight 467.444 g/mol
SMILES CCCCCCCCCCOC(C1C(C(=O)OC2=CC=C(C=C2)Br)CCCC1)=O